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AndrewCRMartin / absplit

Code to split an antibody PDB file into Fv fragments with their antigens
GNU General Public License v3.0
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potential numbering issue: 5drx #15

Closed biochunan closed 1 year ago

biochunan commented 2 years ago

AbM numbered 5drx_0 and 5drx_1P CDR-H3 included a piece of framework region.

AndrewCRMartin commented 1 year ago

This is a problem in abnum which is over-sensitive to needing WG immediately after CDR-H3 - this sequence has WA.

This is now logged as an issue in abnum. It would, however, make sense to look for errors like this in absplit.

AndrewCRMartin commented 1 year ago

Similarly - CDR-H3 in 7jz4_0 and 7jz4_1H is insertion of a LAIR1 domain (~109 residue long)

Current assignment is a slice of LAIR1

We need to be able to reject things that don't have residues H103... as ".bad"

AndrewCRMartin commented 1 year ago

Fixed - Numbering step now checks for this by checking H102 is present if H100A is there.